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Epicoccin b

  • Formula: C18H18N2O7S3

  • Molecular weight: 470.50

  • Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(C(C7=O)S6)O)O)SS2)O

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Epicoccin b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Epicoccin b

  • First synonym: Epicoccin b

  • Synonyms: epicoccin B

Identifiers / External links

Structure

  • Smiles: C1C2C(C3C(C1=O)CC4(N3C(=O)C56CC7C(N5C4=O)C(C(C(C7=O)S6)O)O)SS2)O

  • Isomeric smiles: C1[C@@H]2[C@@H]([C@@H]3[C@H](C1=O)C[C@@]4(N3C(=O)[C@]56C[C@@H]7[C@H](N5C4=O)[C@H]([C@H]([C@@H](C7=O)S6)O)O)SS2)O

  • Inchi: InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1

  • Inchikey: SPLIJUQASWTCRI-KZOHNSNHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H18N2O7S3

  • Molecular weight: 470.50

  • Monoisotopic mass: 470.02761444

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